CID 12450688

13170-66-6

Structural Information

Molecular Formula

C₈H₁₀Cl₂O₂

SMILES

C1CC(CCC1C(=O)Cl)C(=O)Cl

InChI

InChI=1S/C8H10Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h5-6H,1-4H2

InChIKey

HXTYZWJVMWWWDK-UHFFFAOYSA-N

Compound name

cyclohexane-1,4-dicarbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1158
Patents: 208.00578 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.013056	139.3
[M+Na]+	230.994998	146.3
[M-H]-	206.998504	141.8
[M+NH4]+	226.039603	159.2
[M+K]+	246.968938	142.4
[M+H-H2O]+	191.003040	136.1
[M+HCOO]-	253.003981	149.3
[M+CH3COO]-	267.019631	183.2
[M+Na-2H]-	228.980446	141.0
[M]+	208.00523142	138.3
[M]-	208.00632858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe